SCHEMBL2417549

SCHEMBL2417549

O=C(O)c1cn(Cc2ccncc2)c(=O)c2ccc(Br)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ IDO1 P14902 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2419642 0.88 LMNA (0.52) KDM4ERXFP1MEN1KMT2ALMNA
SCHEMBL9974702 0.87 MAPK10 (0.60) KDM4EUSP2MAPK10NPSR1RXFP1
SCHEMBL12284564 0.77 KDM4E (0.59) KDM4EMAPK10BRD4
SCHEMBL2416363 0.74 MAPK8 (0.49) KDM4ERXFP1MEN1KMT2AIDO1
SCHEMBL2420795 0.72 ALDH1A1 (0.48) KDM4EMAPK10NPSR1MEN1KMT2A
SCHEMBL2422505 0.72 CYP1A2 (0.52) KDM4EMEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL2070531 0.71 LMNA (0.71) LMNACNR2
SCHEMBL17338594 0.71 LMNA (0.71) LMNA
SCHEMBL7127566 0.71 LMNA (0.56) LMNACNR1CNR2
SCHEMBL29136045 0.69 MAPK8 (0.46) L3MBTL1MEN1KMT2AIDO1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144881-B1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA ASTRAZENECA AB (SE) 2012-06-20 — — EP disclosed
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 — — US disclosed
EP-2144881-A1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA AstraZeneca AB (SE) 2010-01-20 — — EP disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 — — US disclosed
WO-2008122765-A1 NEW COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2008-10-16 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 CYP3A7, UGT1A7, UGT2B7 KDM4E 2093/4885USP2 3437/4885MAPK10 3748/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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